Information card for entry 2019021

Structure parameters

• Chemical name: Poly[(dimethylformamide-κ<i>O</i>)(μ~4~-5-methoxyisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)manganese(II)]
• Formula: C12 H13 Mn N O6
• Calculated formula: C12 H13 Mn N O6
• Title of publication: A three-dimensional manganese(II) metal‒organic framework based on 5-methoxybenzene-1,3-dicarboxylic acid and exhibiting a pts net
• Authors of publication: Huang, Xiao-Hui
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 483 - 485
• a: 7.437 ± 0.003 Å
• b: 15.164 ± 0.007 Å
• c: 11.278 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.9 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes